CID 3070399

N'-(3-chlorophenyl)-n-(2-(diethylamino)-3-propoxypropyl)-n-phenylurea (e)-2-butenedioate

Structural Information

Molecular Formula
C23H32ClN3O2
SMILES
CCCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl)N(CC)CC
InChI
InChI=1S/C23H32ClN3O2/c1-4-15-29-18-22(26(5-2)6-3)17-27(21-13-8-7-9-14-21)23(28)25-20-12-10-11-19(24)16-20/h7-14,16,22H,4-6,15,17-18H2,1-3H3,(H,25,28)
InChIKey
RKJXRBBQDNNWKF-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-[2-(diethylamino)-3-propoxypropyl]-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.2183 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22558 206.5
[M+Na]+ 440.20752 208.2
[M-H]- 416.21102 214.1
[M+NH4]+ 435.25212 217.5
[M+K]+ 456.18146 204.9
[M+H-H2O]+ 400.21556 196.7
[M+HCOO]- 462.21650 226.0
[M+CH3COO]- 476.23215 238.6
[M+Na-2H]- 438.19297 205.7
[M]+ 417.21775 212.7
[M]- 417.21885 212.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.